trimethylsilyl 10-methyltricosanoate

C27H56O2Si — CID 91747658

IUPACtrimethylsilyl 10-methyltricosanoate
SMILESCCCCCCCCCCCCCC(C)CCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C27H56O2Si/c1-6-7-8-9-10-11-12-13-14-17-20-23-26(2)24-21-18-15-16-19-22-25-27(28)29-30(3,4)5/h26H,6-25H2,1-5H3
InChIKeyASOHUVHICSSZRA-UHFFFAOYSA-N
MW440.83 g/mol
LogP9.82
Rot. Bonds22

About trimethylsilyl 10-methyltricosanoate

trimethylsilyl 10-methyltricosanoate (PubChem CID 91747658) has the molecular formula C27H56O2Si and a molecular weight of 440.83 g/mol. Its IUPAC name is trimethylsilyl 10-methyltricosanoate.

Molecular Properties

Compound Nametrimethylsilyl 10-methyltricosanoate
PubChem CID91747658
Molecular FormulaC27H56O2Si
Molecular Weight440.83 g/mol
Exact Mass440.40
IUPAC Nametrimethylsilyl 10-methyltricosanoate
SMILESCCCCCCCCCCCCCC(C)CCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C27H56O2Si/c1-6-7-8-9-10-11-12-13-14-17-20-23-26(2)24-21-18-15-16-19-22-25-27(28)29-30(3,4)5/h26H,6-25H2,1-5H3
InChIKeyASOHUVHICSSZRA-UHFFFAOYSA-N
XLogP9.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.83
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trimethylsilyl 8-methyltetradecanoate
CID 526098
trimethylsilyl icosanoate
CID 521648
trimethylsilyl 17-methyloctadecanoate
CID 91752780
methyl 17-methyltetracosanoate
CID 91697154
[dimethyl(propan-2-yl)silyl] hexadecanoate
CID 628588
methyl 7-methyldodecanoate
CID 162457531
bis(3-methyltetradecyl) hexanedioate
CID 177339640
2-methylundecyl undecanoate
CID 71429255
(9,12-dimethyl-20-tetradecanoyloxyicosyl) tetradecanoate
CID 170848877
trideuteriomethyl 10-methyloctadecanoate
CID 171381344
4-methyloctanoyl nonanoate
CID 56983372
dioctyl 4-methyloctadecanedioate
CID 87117142

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 10-methyltricosanoate?
The IUPAC name of trimethylsilyl 10-methyltricosanoate (CID 91747658) is trimethylsilyl 10-methyltricosanoate.
What is the SMILES notation for trimethylsilyl 10-methyltricosanoate?
The canonical SMILES for trimethylsilyl 10-methyltricosanoate is CCCCCCCCCCCCCC(C)CCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 10-methyltricosanoate?
The InChIKey is ASOHUVHICSSZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O2Si/c1-6-7-8-9-10-11-12-13-14-17-20-23-26(2)24-21-18-15-16-19-22-25-27(28)29-30(3,4)5/h26H,6-25H2,1-5H3.
What are the key properties of trimethylsilyl 10-methyltricosanoate?
trimethylsilyl 10-methyltricosanoate has a molecular weight of 440.83 g/mol, XLogP of 9.82, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 10-methyltricosanoate is sourced from PubChem (CID 91747658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).